SCHEMBL2809519

SCHEMBL2809519

COc1ccc(CN2CCC3NN(C)c4nc(N5CCN(C)CC5)nc2c43)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
HRH4 Q9H3N8 4/20 0.41
CHKA P35790 1/20 0.40
HRH1 P35367 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
PTBP1 P26599 1/20 0.39
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
EHMT2 Q96KQ7 5/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2811683 0.92 PTGIR (0.40) HTR6KDM4EMAPK1HPGDALOX15
SCHEMBL2812073 0.91 DNMT3A (0.43) L3MBTL1MAPTMAPK1HTTHPGD
SCHEMBL2809530 0.90 MAPT (0.44) L3MBTL1KDM4EMAPTMAPK1HTT
SCHEMBL2810409 0.90 SRC (0.43) HTR6KDM4EHTTHPGDMEN1
SCHEMBL2810429 0.89 KDM4E (0.44) HTR6KDM4EMAPTEHMT2ALDH1A1
SCHEMBL2815921 0.88 TSHR (0.42) KDM4EMAPTMAPK1HTTMEN1
SCHEMBL2814408 0.88 HRH4 (0.43) HTR6HRH4HRH1EHMT2NSD2
SCHEMBL2809447 0.86 TSHR (0.37) HTR6L3MBTL1KDM4EMEN1KMT2A
SCHEMBL2813977 0.85 HRH3 (0.44) HRH4KDM4EHTTMEN1KMT2A
SCHEMBL2809765 0.84 POLB (0.49) KDM4EMAPTMAPK1HTTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 HTR6 1986/4885HRH4 1891/4885CHKA 1599/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.